This research is aimed at studying the ionic liquid/n-pentanol interface via
video-microscopy and molecular dynamic simulations. Understanding the interfacial
phenomena and interfacial transport between ionic liquids and other liquids is of...

To clarify the role of ab initio molecular dynamics (AIMD) simulation, this study organizes the McMillan-Mayer (MM) theorem, the potential distribution theorem, and quasi-chemical approach to provide theory for the thermodynamic effects associated...

Weak bonds such as hydrogen bond, pi-pi stacking and van der Waals interaction are much weaker in the strength but play a more important role for the existence of various lives. For example, they are the major intermolecular interactions in the...

Cytosine methylation at CpG dinucleotides is a semistable epigenetic marker critical to the normal development of vertebrates. Abnormal levels of methylation are associated with a host of human diseases and disorders, and many diagnostic tools...

Polyethylene oxide polymers are intrinsic to oil spill dispersants used in Macondo well blowout of 2010. We believe that effective thermo-physical modeling of these materials should assist the application of lab-scale results into ocean-scales....